SCHEMBL6539644

SCHEMBL6539644

CC(C)N(C(=O)COc1ccc(C=O)cc1)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.60
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
PKM P14618 1/20 0.55
ALDH1A1 P00352 6/20 0.55
ALDH1A3 P47895 1/20 0.47
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8070499 0.95 SRD5A2 (0.68) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL6538464 0.83 SMN1; SMN2 (0.61) KMT2AALDH1A1NPC1RAB9ALMNA
SCHEMBL8083052 0.82 MEN1 (0.57) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL6539244 0.82 NPC1 (0.65) ALDH1A1NPC1RAB9A
SCHEMBL8070874 0.81 SRD5A2 (0.57) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL8080185 0.80 SRD5A2 (0.63) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL6539640 0.79 SRD5A2 (0.61) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL6539987 0.79 SRD5A2 (0.91) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL6538743 0.78 NPC1 (0.52) ALDH1A1NPC1RAB9ALMNAMAPT
SCHEMBL12517065 0.78 ALDH1A1 (0.54) MEN1KMT2AALDH1A1ALDH1A3LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6812235-B2 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-02 US disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 US disclosed
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB SRD5A2 507/4885MEN1 1428/4885KMT2A 2770/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.